Geometry & MOs

Info

ID:	33996
PubChem CID:	7889323
Reduced:	OS2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	330.04967
ΔH_f, kcal/mol:	7.52
Dipole, Da:	2.29
IP(EA), eV:	-8.99(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCC1)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations